REMARK  Name = BDB046148
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.159  -1.055  -0.925  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -3.947  -0.899  -0.792  0.00  0.00    +0.246 C 
ATOM      3  C   LIG    1       -3.393   0.457  -0.571  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -2.103   0.736  -0.096  0.00  0.00    +0.081 A 
ATOM      5  C   LIG    1       -1.656   2.039   0.113  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1       -2.502   3.126  -0.154  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -3.793   2.876  -0.622  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1       -0.370   2.055   0.584  0.00  0.00    -0.227 NA
ATOM      9  C   LIG    1       -0.001   0.794   0.676  0.00  0.00    +0.142 A 
ATOM     10  N   LIG    1       -1.026  -0.037   0.271  0.00  0.00    -0.321 N 
ATOM     11  C   LIG    1       -0.983  -1.485   0.229  0.00  0.00    +0.142 C 
ATOM     12  C   LIG    1       -1.698  -2.045  -0.990  0.00  0.00    +0.126 C 
ATOM     13  C   LIG    1       -4.228   1.566  -0.821  0.00  0.00    +0.015 A 
ATOM     14  N   LIG    1       -3.139  -2.004  -0.861  0.00  0.00    -0.310 N 
ATOM     15  H   LIG    1       -3.664  -2.839  -1.099  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  16
ATOM     16  C   LIG    1        1.305   0.332   1.149  0.00  0.00    +0.025 A 
ATOM     17  C   LIG    1        2.372   0.054   0.253  0.00  0.00    -0.007 A 
ATOM     18  C   LIG    1        3.586  -0.451   0.783  0.00  0.00    -0.017 A 
ATOM     19  C   LIG    1        4.654  -0.753  -0.078  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        4.544  -0.558  -1.455  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        3.367  -0.051  -1.989  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        3.717  -0.643   2.168  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        2.671  -0.341   3.037  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        2.295   0.253  -1.147  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        1.470   0.144   2.530  0.00  0.00    +0.012 A 
ENDBRANCH   9  16
TORSDOF 1